5,6beta-Dibromo-3beta-chloro-5alpha-chloestane
TL;DR: 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane (CAS 58745-01-0) is a chemical compound with molecular formula C27H45Br2Cl and molecular weight 562.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Also Known As: KST-1A6258, 3beta-Chloro-5alpha,6beta-dibromocholestane, (3, A,5, A,6
| Molecular Formula | C27H45Br2Cl |
|---|---|
| Molecular Weight | 562.16 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.15765 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 58745-01-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)Cl)C)Br)Br)C |
| InChIKey | FTMKSVKJLVFTLW-RUXQDQFYSA-N |
Product Overview
5,6beta-Dibromo-3beta-chloro-5alpha-chloestane (CAS 58745-01-0), with molecular formula C27H45Br2Cl and molecular weight 562.16 g/mol. IUPAC: (3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.
Chemical Property Profile of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane
Property Insights of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane
The XLogP value of 11.1 indicates that 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane?
The CAS number of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane is 58745-01-0.
What is the molecular formula of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane?
The molecular formula of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane is C27H45Br2Cl.
What is the molecular weight of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane?
The molecular weight of 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane is 562.16 g/mol.
Where can I buy 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane?
You can request a quote for 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane?
Yes, KEHONG BIO provides custom synthesis services for 5,6beta-Dibromo-3beta-chloro-5alpha-chloestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.